(5-iodanyl-3-methyl-2-oxidanyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (5-iodanyl-3-methyl-2-oxidanyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-5-iodo-3-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-5-iodo-3-methylphenyl) ester IUPAC Name: (2-hydroxy-5-iodo-3-methylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-5-iodo-3-methyl-phenyl) ester Formula: C14H13IO4S MolecularWeight: 404.22009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)I)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)I)C)O

InChI

InChI=1S/C14H13IO4S/c1-9-3-5-12(6-4-9)20(17,18)19-13-8-11(15)7-10(2)14(13)16/h3-8,16H,1-2H3